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WO2015029254A1 - Dispositif de traitement de données pour chromatographe et procédé associé - Google Patents

Dispositif de traitement de données pour chromatographe et procédé associé Download PDF

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Publication number
WO2015029254A1
WO2015029254A1 PCT/JP2013/073555 JP2013073555W WO2015029254A1 WO 2015029254 A1 WO2015029254 A1 WO 2015029254A1 JP 2013073555 W JP2013073555 W JP 2013073555W WO 2015029254 A1 WO2015029254 A1 WO 2015029254A1
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Prior art keywords
wavelength
standard sample
intensity
chromatogram
designated
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PCT/JP2013/073555
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English (en)
Japanese (ja)
Inventor
悦輔 鎌田
年伸 柳沢
康敬 水戸
賢一 三嶋
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Shimadzu Corp
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Shimadzu Corp
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Priority to CN201810180594.7A priority Critical patent/CN108508122B/zh
Priority to US14/915,794 priority patent/US10151734B2/en
Priority to CN201380079317.2A priority patent/CN105518454B/zh
Priority to JP2015533921A priority patent/JP6065981B2/ja
Priority to PCT/JP2013/073555 priority patent/WO2015029254A1/fr
Publication of WO2015029254A1 publication Critical patent/WO2015029254A1/fr
Anticipated expiration legal-status Critical
Ceased legal-status Critical Current

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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis
    • G01N30/8624—Detection of slopes or peaks; baseline correction
    • G01N30/8631—Peaks
    • G01N30/8634—Peak quality criteria
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/62—Detectors specially adapted therefor
    • G01N30/74—Optical detectors

Definitions

  • the present invention relates to a data processing apparatus and a data processing method for a chromatographic apparatus such as a liquid chromatograph and a gas chromatograph.
  • chromatogram data data representing a chromatogram
  • signal intensity output voltage, etc.
  • chromatograph data processing device a peak appearing in such a chromatogram is detected, a substance corresponding to the peak is identified from the peak position (retention time) with reference to a preset identification table, Further, the concentration and amount of the substance are calculated from the peak height and area.
  • the detector of the chromatographic apparatus has a problem that the reliability of the detection result differs depending on the level of the signal.
  • the component concentration in the sample is too low, the quantification accuracy deteriorates due to the effects of noise in the detection signal, and vice versa. If the component concentration is too high, the non-linearity of the detection signal becomes remarkable, and the quantitative accuracy is deteriorated. Therefore, analysis in a conventional chromatographic apparatus is performed by appropriately diluting the sample so that the component concentration in the sample falls within a predetermined range (dynamic range).
  • the sample concentration and detector sensitivity should be adjusted so that all target components are within the dynamic range. You only have to set it. However, if the concentration difference of the target component is large, the signal of the maximum concentration component (principal component) will be distorted or saturated if the minimum concentration component (impurity) is detected correctly, no matter what setting is made. Therefore, if the maximum concentration component (principal component) is to be detected correctly, the minimum concentration component (impurity) is buried in noise, and neither of them can be analyzed correctly.
  • Non-Patent Document 1 “Acetylcysteine Purity Test (6) Related Substances” (pp. 311-312), a liquid using an ultraviolet absorptiometer with a measurement wavelength of 220 nm It is described that when the test is performed with a chromatograph, the area of peaks other than acetylcysteine is 0.3% or less per peak, and 0.6% or less in total, compared with the area of the peak of acetylcysteine.
  • An object of the present invention is to provide a chromatographic data processing apparatus and data capable of performing data processing in one analysis and using one detector without being affected by noise and non-linearity of a detection signal. It is to provide a processing method.
  • the chromatographic data processing apparatus which has been made to solve the above-mentioned problems, creates a chromatogram based on a temporal change of a spectrum acquired within a wavelength range including a target wavelength corresponding to a target component.
  • a standard sample sensitivity coefficient calculating means for calculating a standard sample sensitivity coefficient divided by a second intensity that is an intensity at a specified wavelength; a-3) corrected standard sample chromatogram intensity calculating means for calculating the peak intensity of the corrected standard sample chromatogram obtained by multiplying the chromatogram at the specified wavelength by the standard sample sensitivity coefficient for each standard sample; a-4) index value calculation means for obtaining an index value indicating the correlation between the concentration of the standard sample and the peak intensity of the corrected standard sample chromatogram; a-5) One or both of the designated retention time and the designated wavelength are changed, and the set of the designated retention time and the designation is within a predetermined range indicating that the index value is highly correlated.
  • a specific designated holding time / specific designated wavelength setting means for selecting a wavelength and setting a specific designated holding time and a specific designated wavelength; and b-1) measurement sample data storage means for storing spectrum data for a measurement sample whose concentration of the target component is unknown; b-2) Calculate the measurement sample sensitivity coefficient obtained by dividing the first intensity, which is the intensity at the target wavelength, of the spectrum of the measurement sample at the specific designated retention time by the second intensity, which is the intensity at the specific designated wavelength.
  • a measurement sample sensitivity coefficient calculating means b-3)
  • a corrected measurement sample chromatogram creation means for creating a corrected measurement sample chromatogram obtained by multiplying the chromatogram at the specific designated wavelength by the measurement sample sensitivity coefficient.
  • the chromatographic data processing apparatus prepares a chromatogram using a plurality of standard samples (concentrations known) having different concentrations of the target component described in a-1) to a-5).
  • a configuration for specifying parameters to be used, and a configuration for creating a chromatogram of a measurement sample whose concentration of a target component is unknown using the parameters described in b-1) to b-3) Have
  • the configurations of a-1) to a-5) are collectively referred to as “parameter setting means”
  • the configurations of b-1) to b-3) are collectively referred to as “measurement sample chromatogram creation means”.
  • the measurement sample chromatogram creation means will be described first. Because the spectrum of a component has a shape unique to the component, the spectrum of the component has the same shape and is different only in intensity if no distortion or saturation occurs in the retention time within the peak of the chromatogram by that component. Have similarities. When the chromatogram is created at each wavelength belonging to one spectrum peak due to the similarity of the spectrum shape, the intensity of the chromatogram is proportional to the intensity of the spectrum at the wavelength. Therefore, in the measurement sample chromatogram creation means, for the spectrum of the measurement sample in a predetermined retention time (this is called the designated retention time), the intensity of the spectrum at the target wavelength is different from that in the same spectrum peak.
  • An operation of multiplying the chromatogram intensity at the designated wavelength by the sensitivity coefficient divided by the intensity of the spectrum in this (referred to as the designated wavelength), that is, the intensity ratio of the spectrum at the target wavelength and the designated wavelength, is performed.
  • the intensity ratio of such a spectrum matches the intensity ratio of the chromatogram at the target wavelength and the chromatogram at the designated wavelength due to the above similarity unless the spectrum is distorted or saturated. Therefore, even if the spectrum is distorted or saturated at the retention time near the peak top of the chromatogram, the target wavelength can be determined by specifying the specified wavelength and the specified retention time at which such saturation does not occur.
  • a chromatogram corrected sample chromatogram after correction
  • the parameter setting means performs the setting.
  • the parameter setting means calculates the sensitivity coefficient (standard sample sensitivity coefficient) for each standard sample after setting the specified retention time and the specified wavelength (temporarily) for a plurality of standard samples with different concentrations of the target component. ) Calculate the peak intensity of the corrected standard sample chromatogram obtained by multiplying the chromatogram at the specified wavelength by the standard sample sensitivity coefficient.
  • an index value (described later) indicating the correlation between the concentration of the standard sample and the peak intensity of the corrected standard sample chromatogram is obtained while changing either one or both of the designated holding time and the designated wavelength.
  • a set of designated holding time and designated wavelength when this index value is within a predetermined range is selected and specified as the specified designated holding time and specified designated wavelength.
  • obtaining the relationship between the concentration of the standard sample and the peak intensity of the chromatogram (normal, not the standard sample chromatogram after correction) in the parameter setting means corresponds to creating a calibration curve.
  • the specific designated retention time and the specific designated wavelength are specified based on the data of the standard sample measured in such a wide concentration range.
  • the index value includes (1) absolute value of correlation coefficient, (2) average value of absolute value of deviation in peak intensity of corrected standard sample chromatogram, and (3) maximum value of absolute value of deviation, etc. These can be used, and two or more of these can be used in combination. Hereinafter, these index values will be described.
  • the correlation coefficient C is the concentration d i in the standard sample of n types (n is a natural number of 2 or more) having different concentrations of the target component and the peak intensity I of the corrected standard sample chromatogram.
  • n a natural number of 2 or more
  • I the peak intensity of the corrected standard sample chromatogram.
  • d av and I av are average values of n pieces of data ⁇ d i ⁇ and ⁇ I i ⁇ , respectively.
  • the correlation coefficient C can take a value from ⁇ 1 to +1.
  • the correlation coefficient C means that the correlation between two variables increases as the correlation coefficient C approaches +1 or ⁇ 1 (that is, the absolute value approaches 1).
  • a correlation coefficient of -1 means that when one variable increases, the other variable decreases, so when the concentration and peak intensity are variables as in the present invention, the correlation The number must approach +1. Therefore, in the present invention, the specified holding time and the specified wavelength when the correlation coefficient C is closer to +1 than the predetermined value, that is, the predetermined value or more are set as the specific specified holding time and the specific specified wavelength.
  • the chromatographic data processing apparatus has been described as having both the parameter setting means and the measurement sample chromatogram creation means, but the chromatographic data processing apparatus has only the parameter setting means (ie, A calibration curve may only be created), and a chromatogram of the measurement sample may be separately created based on the parameters set by the parameter setting means.
  • a chromatographic data processing method is a chromatographic data processing method for creating a chromatogram based on a time change of a spectrum acquired within a wavelength range including a target wavelength corresponding to a target component.
  • a first intensity which is an intensity at the target wavelength, of the spectrum of the standard sample at a designated retention time common to each standard sample, Calculating a standard sample sensitivity coefficient divided by a second intensity which is an intensity at a specified wavelength within the wavelength range different from the wavelength;
  • the first intensity, which is the intensity at the target wavelength, of the spectrum of the measurement sample in the specific designated retention time is the second intensity, which is the intensity at the specific designated wavelength.
  • analysis data processing using a chromatograph can be performed in one analysis and using one detector without being affected by noise and non-linearity of the detection signal. . And since the designated holding time and the designated wavelength, which are parameters necessary for the data processing, can be automatically specified, even a beginner can easily handle them.
  • FIG. 1 is a schematic configuration diagram of an analysis system including an embodiment of a chromatographic data processing apparatus according to the present invention.
  • the graph which shows the example of the calibration curve (a) when not correcting chromatogram, and the calibration curve (b) calculated
  • the schematic block diagram which shows the other example of the data processor for chromatographs which concerns on this invention.
  • Embodiments of the chromatograph data processing apparatus according to the present invention will be described with reference to FIGS.
  • the case of a liquid chromatograph (LC) will be described as an example, but the same applies to a gas chromatograph.
  • the chromatographic data processing apparatus of the present embodiment constitutes a part of the analysis system 10 shown in FIG.
  • the analysis system 10 processes LC 11 for separating components contained in a liquid sample in time, a detector 12 for analyzing each separated component within a predetermined wavelength band, and data output from the detector 12.
  • a chromatograph data processing device device of this embodiment; hereinafter referred to as “data processing device”.
  • the data processing device 13 includes a general computer (hardware) having a CPU (central processing unit), a storage device (memory, hard disk, solid state drive, etc.), a display, an input device (keyboard, mouse, etc.), etc. Consists of dedicated data processing software installed on the computer.
  • the data processing device 13 has functions as a parameter setting unit 131 and a measurement sample chromatogram creation unit 132.
  • the parameter setting unit 131 is used to set the specific designated retention time and the specific designated wavelength using measurement results of a plurality of standard samples whose concentrations of the target component are known and different from each other.
  • Parameter search condition input unit 1310 for a user to input various conditions to be described later, and a standard sample data storage unit for storing spectrum measurement data for a plurality of holding times for a plurality of types of standard samples having different concentrations 1311.
  • the parameter setting unit 131 includes a standard sample sensitivity coefficient calculation unit 1312, a corrected standard sample chromatogram intensity calculation unit 1313, an index value calculation unit 1314, a specific designated retention time / specific designated wavelength setting unit 1315, and a calibration curve creation unit. 1316. These units will be described when the operation of the data processing device 13 is described.
  • the measurement sample chromatogram creation unit 132 performs a process using the measurement result of the measurement sample in which the concentration of the target component is unknown, the specific designated retention time and the specific designated wavelength, and finally corrects the measurement sample.
  • a measurement sample data storage unit 1321, a measurement sample sensitivity coefficient calculation unit 1322, and a corrected measurement sample chromatogram creation unit 1323 for creating a chromatogram are provided.
  • the measurement sample data storage unit 1321 stores spectrum measurement data for a number of holding times for each measurement sample. The functions of the measurement sample sensitivity coefficient calculation unit 1322 and the corrected measurement sample chromatogram creation unit 1323 will be described when the operation of the data processing device 13 is described.
  • the display of the data processing device 13 displays two windows, a quantitative browser window 20 shown in FIG. 2 and a data analysis window 40 shown in FIG.
  • a quantitative browser window 20 shown in FIG. 2 displays two windows
  • the user clicks a predetermined icon in the quantitative browser window 20 or performs a predetermined operation such as selecting a predetermined item from “Window (W)” in the pull-down menu the parameters shown in FIG.
  • a search condition input window 30 is displayed.
  • the quantitative browser window 20, the parameter search condition input window 30, and the data analysis window 40 will be described in this order.
  • the quantification browser window 20 is a window used when setting parameters using a standard sample, and has display areas such as a quantification result view 21, a chromatogram view 22, and a calibration curve / spectrum view 23.
  • the quantification result view 21 shows the area and height obtained from the name of the data file and the chromatogram for each standard sample for a plurality of standard samples whose concentration of the target component is known (the numerical values of these areas and heights will be described later).
  • the information can be changed by data processing by the data processing device 13), and information such as concentration is displayed.
  • the chromatogram view 22 displays a chromatogram for one type of standard sample selected by the user using a mouse device or the like in the quantitative result view 21.
  • the chromatogram view 22 can also display detailed information of the sample recorded in the data file regarding the one type of standard sample by switching the tabs displayed therein.
  • the calibration curve / spectrum view 23 displays either a calibration curve or a spectrum at one standard sample and a retention time by switching tabs.
  • the calibration curve is a graph showing the relationship between the concentration of the standard sample and the intensity (area or height) of the chromatogram, in order to obtain the concentration of the measurement sample from the intensity of the chromatogram of the measurement sample whose concentration is unknown. Used for. This calibration curve can be changed by data processing by the data processing device 13 described later.
  • the parameter search condition input window 30 is a window for executing automatic parameter search after a user inputs parameter setting conditions using a standard sample.
  • correction wavelength setting method correction wavelength (manual), correction wavelength (automatic) intensity, correction wavelength (automatic) moving direction, sensitivity correction spectrum extraction intensity, and background correction are shown.
  • An input field is displayed.
  • a button for the user to select whether the above-mentioned specific designated wavelength is set automatically or manually is displayed.
  • the correction wavelength (manual) input column allows the user to input a numerical value of a specific designated wavelength when “manual” is selected in the correction wavelength setting method input column.
  • a column for selecting a calculation method for obtaining an index value indicating the correlation between the concentration of the standard sample and the intensity of the standard sample chromatogram after correction is displayed.
  • one or a plurality of index values can be selected from three types of index values: a correlation coefficient of a calibration curve, an average value of deviation, and a maximum value of deviation.
  • the parameter search condition input window 30 displays a search start button for starting an automatic parameter search after the input of these conditions is completed.
  • the data analysis window 40 is a window used when processing the data of the measurement sample, and has display areas such as a contour line view 41, a spectrum view 42, and a chromatogram view 43.
  • the contour line view 41 shows the signal intensity of the detector 12 as a contour line on a graph in which the horizontal axis represents the holding time and the vertical axis represents the wavelength of the light detected by the detector 12.
  • the spectrum view 42 displays the spectrum of the measurement sample at a specific holding time
  • the chromatogram view 43 displays the corrected chromatogram of the measurement sample.
  • one retention time T s in which saturation does not occur in the pre-correction chromatogram 511 is designated (FIG. 5 (a)).
  • This holding time T s is referred to as “designated holding time”.
  • the designated holding time T s may be designated directly, but the saturation of the pre-correction chromatogram 511 does not occur when the intensity is equal to or lower than a predetermined value.
  • the designated holding time T s corresponding to the intensity may be designated.
  • the value input in the sensitivity correction spectrum extraction intensity input field of the parameter search condition input window 30 described above corresponds to the intensity Is1 specified here.
  • the spectrum (referred to as “second spectrum”) 522 in the designated retention time T s does not show saturation or distortion (FIG. 5B).
  • a wavelength ⁇ s at which no saturation or distortion is observed in the first spectrum 521 is specified (FIG. 5B).
  • This wavelength ⁇ s is referred to as a "specified wavelength”.
  • a designated wavelength lambda s instead of specifying the specified wavelength lambda s directly, by selecting the intensity I s2 below a predetermined value saturation spectrum does not occur, may be designated a designated wavelength lambda s which corresponds to the intensity.
  • the value input in the correction wavelength (automatic) intensity input field of the parameter search condition input window 30 described above corresponds to the intensity Is2 specified here.
  • the first intensity I a that is the intensity of the second spectrum 522 at ⁇ t where the target component has the maximum spectrum (in general, if the target component is known, this wavelength is also known)
  • a second intensity I b that is the intensity of the second spectrum 522 at the specified wavelength ⁇ s is obtained (FIG. 5C).
  • a sensitivity coefficient K I a / I b which is a ratio between the first intensity I a and the second intensity I b is obtained.
  • the ratio of the first intensity I a and the second intensity in the second spectrum 522 is equal to the ratio of the intensity at the target wavelength ⁇ t of the first spectrum 521 and the intensity at the designated wavelength ⁇ s . Therefore, by creating a chromatogram 531 at the designated wavelength ⁇ s where no saturation / distortion occurs in the first spectrum 521, the saturation / distortion at the target wavelength ⁇ t is obtained by multiplying the chromatogram 531 by the sensitivity coefficient K. No corrected chromatogram 532 is obtained.
  • the user selects “automatic” in the correction wavelength setting method input field, and the sensitivity correction spectrum described above in the sensitivity correction spectrum extraction intensity input field and correction wavelength (automatic) intensity input field, respectively.
  • these values are input as initial values, and finally the optimum values are obtained by the data processing device 13 of this embodiment.
  • the user corrects the sensitivity correction spectrum extraction intensity Is1 and the correction wavelength (Automatic) Enter the numerical value of the search range and search step (interval) for changing the intensity Is2 .
  • the user inputs whether or not to perform background correction in the background correction input field. Since background correction is generally performed during chromatogram data processing, detailed description thereof is omitted here.
  • the user further selects a calculation method for obtaining an index value indicating the correlation between the standard sample concentration and the intensity of the corrected standard sample chromatogram in the lower column of the parameter search condition input window 30.
  • the wavelength corresponding to the compensation wavelength (auto) intensity I s2 is present on both the long wavelength side and the shorter wavelength side than the target wavelength lambda t.
  • the user inputs which wavelength to select in the correction wavelength (automatic) movement direction input column.
  • one specified holding time T s may be input instead of the sensitivity correction spectrum extraction intensity I s1
  • one specified wavelength ⁇ s may be input instead of the corrected wavelength (automatic) intensity I s2. It may be.
  • step S ⁇ b> 3 the standard sample sensitivity coefficient calculation unit 1312 acquires spectrum data for each standard sample for a plurality of types of standard samples from the standard sample data storage unit 1311.
  • the standard sample sensitivity coefficient calculation unit 1312 calculates the sensitivity coefficient K described in (2) for each standard sample using one set of designated holding time T s and designated wavelength ⁇ s (step S4).
  • the corrected standard sample chromatogram intensity calculation unit 1313 creates a corrected chromatogram 532 as described in (2) based on the sensitivity coefficient K obtained in step S4 for each standard sample.
  • the peak intensity (peak area intensity or peak top intensity) of the corrected chromatogram 532 is calculated (step S5).
  • the index value calculation unit 1314 calculates index values for the set of designated holding times T s and designated wavelengths ⁇ s (step S6).
  • the index value is calculated from the correlation coefficient of the calibration curve, the average value of the deviation, and the median value of the deviation, which is selected by the user in the parameter search condition input window 30.
  • the correlation coefficient of the calibration curve is calculated using the above-described calculation formula of the correlation coefficient C, and the average value and median value of the deviation are obtained by calculating the average value and median value by a known method. calculate.
  • the index value calculation unit 1314 corresponds to the search range and search step entered by the user in the parameter search condition input window 30. It is checked whether or not the calculation of the index value is completed for all combinations of the designated holding time T s and the designated wavelength ⁇ s to be performed (step S7). If it is completed, the process proceeds to step S9. On the other hand, if it has not been completed, the designated holding time T s and the designated wavelength ⁇ s are changed to those for which calculation of the index value has not been completed (step S8), and the operations of steps S4 to S6 are repeated.
  • the specific designated retention time / specific designated wavelength setting unit 1315 indicates that the index value has the highest correlation among the combinations of the plural designated retention times T s and the designated wavelengths ⁇ s obtained so far.
  • the designated holding time T s and the designated wavelength ⁇ s indicating are selected as the specific designated holding time and the specific designated wavelength.
  • the intensity value corresponding to the specific designated holding time and the specific designated wavelength, and the calculation result of the correlation coefficient are displayed in the corresponding column in the search condition input window 30.
  • calibration curve creating unit 1316 determines the particular specified retention time and data row obtained in certain specified wavelengths ⁇ (d i, I i) ⁇ to prepare a calibration curve based on.
  • the data point deviates from a linear straight line due to saturation of the chromatogram peak (FIG. 7 (a)), whereas the calibration curve obtained here shows the data The points agree well with the straight line of the linear function (FIG. 7 (b)).
  • the calibration curve creation unit 1316 displays the corrected calibration curve thus obtained on the calibration curve / spectrum view 23 of the quantitative browser window 20. Thereby, the operation of the parameter setting unit 131 ends.
  • (3-2) Operation of the measurement sample chromatogram creation unit 132 When the user performs a predetermined operation for specifying one of the measurement samples whose concentration of the target component is unknown in the data analysis window 40, the measurement sample chromatogram creation is performed.
  • the unit 132 starts operation. First, the measurement sample sensitivity coefficient calculation unit 1322 acquires spectrum data of the measurement sample from the measurement sample data storage unit 1321 (step S21). Next, the measurement sample sensitivity coefficient calculation unit 1322 calculates the sensitivity coefficient K described in (2), where T s is the specific designated retention time selected by the parameter setting unit 131 and ⁇ s is the specific designated wavelength ( Step S22).
  • the corrected measurement sample chromatogram creation unit 1323 creates the corrected chromatogram 532 for the measurement sample as described in (2) based on the sensitivity coefficient K obtained in step S23 (step 2). S23). Thus, the operation of the measurement sample chromatogram creation unit 132 is finished.
  • the calibration curve creation unit 1316 creates a calibration curve based on the data obtained at the specific designated retention time and the specific designated wavelength.
  • the calibration curve creation unit 1316 is not essential.
  • it when it is intended to create a calibration curve that is not affected by chromatogram saturation or distortion, it has a parameter setting unit 131 as in the analysis system 10A shown in FIG. A configuration without the chromatogram creation unit 132 may also be adopted.

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Abstract

　La présente invention porte sur un dispositif de traitement de données pour chromatographe qui comporte : une unité (1311) de stockage de données d'échantillon standard destinée à stocker des données spectrales pour chacun d'une pluralité d'échantillons standards ayant différentes concentrations d'un constituant cible ; une unité (1312) de calcul de coefficient de sensibilité d'échantillon standard destinée à calculer un coefficient de sensibilité d'échantillon standard obtenu par la division d'une première intensité qui est l'intensité à une longueur d'onde cible du spectre d'un échantillon standard dans un temps de rétention désigné partagé parmi les échantillons standards par une seconde intensité qui est l'intensité à une longueur d'onde désignée dans une plage de longueur d'onde prédéterminée et différente de la longueur d'onde cible ; une unité (1313) de calcul d'intensité de chromatogramme d'échantillon standard corrigé destinée à calculer l'intensité maximale d'un chromatogramme d'échantillon standard corrigé obtenu par la multiplication d'un chromatogramme à la longueur d'onde désignée par le coefficient de sensibilité d'échantillon standard ; une unité (1314) de calcul de valeur d'indice destinée à calculer une valeur d'indice indiquant une corrélation entre la concentration de l'échantillon standard et l'intensité maximale dans le chromatogramme d'échantillon standard corrigé, une unité (1315) de réglage de temps de rétention désigné spécifique/longueur d'onde désignée spécifique destinée à faire varier le temps de rétention désigné et/ou la longueur d'onde désignée, sélectionner le temps de rétention désigné et la longueur d'onde désignée réglés dans une plage prédéterminée pour laquelle la valeur d'indice indique une corrélation élevée, et régler un temps de rétention désigné spécifique et une longueur d'onde désignée spécifique ; une unité (1321) de stockage de données d'échantillon de mesure destinée à stocker des données de spectre pour un échantillon de mesure dans lequel la concentration du constituant cible est inconnue ; une unité (1322) de calcul de coefficient de sensibilité d'échantillon de mesure destinée à calculer un coefficient de sensibilité d'échantillon de mesure pour le temps de rétention désigné spécifique ; et une unité (1323) de création de chromatogramme d'échantillon de mesure corrigé destinée à créer un chromatogramme d'échantillon de mesure corrigé obtenu par la multiplication du chromatogramme pour la longueur d'onde désignée spécifique par le coefficient de sensibilité l'échantillon de mesure.
PCT/JP2013/073555 2013-09-02 2013-09-02 Dispositif de traitement de données pour chromatographe et procédé associé Ceased WO2015029254A1 (fr)

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Application Number Priority Date Filing Date Title
CN201810180594.7A CN108508122B (zh) 2013-09-02 2013-09-02 色谱仪用数据处理装置
US14/915,794 US10151734B2 (en) 2013-09-02 2013-09-02 Data processing system and method for chromatograph
CN201380079317.2A CN105518454B (zh) 2013-09-02 2013-09-02 色谱仪用数据处理装置以及方法
JP2015533921A JP6065981B2 (ja) 2013-09-02 2013-09-02 クロマトグラフ用データ処理装置及び方法
PCT/JP2013/073555 WO2015029254A1 (fr) 2013-09-02 2013-09-02 Dispositif de traitement de données pour chromatographe et procédé associé

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CN114428127A (zh) * 2020-10-29 2022-05-03 中国石油化工股份有限公司 一种鉴别石油产品的方法
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